C487-0057 Screening compound: methyl 2-[2-(7-{[(furan-2-yl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

C487-0057 Screening compound: methyl 2-[2-(7-{[(furan-2-yl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate
C487-0057 Screening compound: methyl 2-[2-(7-{[(furan-2-yl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0057
methyl 2-[2-(7-{[(furan-2-yl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C487-0057

Molecular Formula

C31H26N4O7 (C31 H26 N4 O7)

Compound Name

methyl 2-[2-(7-{[(furan-2-yl)methyl]carbamoyl}-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

IUPAC name

methyl 2-[2-(7-{[(furan-2-yl)methyl]carbamoyl}-3-(4-methylphenyl)-24-dioxo-1234-tetrahydroquinazolin-1-yl)acetamido]benzoate

SMILES

Cc(cc1)ccc1N(C(c(ccc(C(NCc1ccco1)=O)c1)c1N1CC(Nc(cccc2)c2C(OC)=O)=O)=O)C1=O

InChI

InChI=1S/C31H26N4O7/c1-19-9-12-21(13-10-19)35-29(38)24-14-11-20(28(37)32-17-22-6-5-15-42-22)16-26(24)34(31(35)40)18-27(36)33-25-8-4-3-7-23(25)30(39)41-2/h3-16H,17-18H2,1-2H3,(H,32,37)(H,33,36)

InChI Key

DEHSJQKSCKIIQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-4.00

Polar Surface Area

106.443

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with C487-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0057?
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What is the minimum amount of C487-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0057
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C487-0057 available by request